KEGG   COMPOUND: C11133Help
Entry
C11133                      Compound                               

Name
Estrone glucuronide;
Estrone 3-glucuronide;
Estrone beta-D-glucuronide
Formula
C24H30O8
Exact mass
446.1941
Mol weight
446.4902
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0201 C18 steroids (estrogens) and derivatives
    C11133  Estrone 3-glucuronide
  ST05 Steroid conjugates
   ST0501 Glucuronides
    C11133  Estrone 3-glucuronide
BRITE hierarchy
Other DBs
CAS: 
2479-90-5
PubChem: 
ChEBI: 
LIPIDMAPS: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   C1y C    25.8695  -18.7221
            2   O2x O    24.6811  -18.0361
            3   C1y C    23.4978  -18.7184
            4   C1y C    23.4956  -20.0797
            5   C1y C    24.6769  -20.7659
            6   C1y C    25.9303  -20.0836
            7   C1y C    34.1772  -15.2912
            8   C1y C    32.9755  -15.9950
            9   C1z C    34.1830  -13.9080
            10  C1x C    36.5781  -15.2400
            11  C1y C    31.7750  -15.3100
            12  C1x C    32.9521  -17.3678
            13  C1x C    32.9638  -13.2216
            14  C5x C    35.3895  -13.2159
            15  C1a C    34.0881  -12.4287
            16  C1x C    36.5839  -13.9197
            17  C8y C    30.5920  -16.0080
            18  C1x C    31.7633  -13.9256
            19  C1x C    31.7867  -18.0599
            20  O5x O    35.3895  -11.8547
            21  C8y C    30.5920  -17.3736
            22  C8x C    29.4033  -15.3275
            23  C8x C    29.4033  -18.0658
            24  C8x C    28.2320  -16.0080
            25  C8y C    28.2320  -17.3736
            26  O2a O    27.0549  -18.0482
            27  C6a C    22.3166  -18.0322
            28  O1a O    24.6747  -22.1343
            29  O1a O    27.0486  -20.7696
            30  O1a O    22.3122  -20.7621
            31  O6a O    22.3188  -16.6638
            32  O6a O    21.1332  -18.7147
BOND        36
            1     1   2 1
            2     7   8 1
            3     7   9 1
            4     7  10 1
            5     8  11 1
            6     8  12 1
            7     9  13 1
            8     9  14 1
            9     9  15 1 #Up
            10   10  16 1
            11   11  17 1
            12   11  18 1
            13   12  19 1
            14   14  20 2
            15   17  21 2
            16   17  22 1
            17   21  23 1
            18   22  24 2
            19   23  25 2
            20   25  26 1
            21   13  18 1
            22   14  16 1
            23   19  21 1
            24   24  25 1
            25    1  26 1 #Up
            26    2   3 1
            27    3  27 1 #Up
            28    3   4 1
            29    5  28 1 #Up
            30    4   5 1
            31    6  29 1 #Down
            32    5   6 1
            33    4  30 1 #Down
            34    6   1 1
            35   27  31 2
            36   27  32 1

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